Publications

Useful products generated from interferometric synthetic aperture radar (IFSAR) complex data include height measurement, coherent change detection, and classification. The IFSAR coherence is a spatial measure of complex correlation between two collects, a product of IFSAR signal processing. A tacit assumption in such IFSAR signal processing is that the terrain height is constant across an averaging box used in the process of correlating the two images. This paper presents simulations of IFSAR coherence if two targets with different heights exist in a given correlation cell, a condition in IFSAR collections produced by layover. It also includes airborne IFSAR data confirming the simulation results. The paper concludes by exploring the implications of the results on IFSAR height measurements and classification.

Bis(cyclopentadienyl)magnesium (MgCp2) is used commonly as a source for doping nitride materials with magnesium. Increased oxygen incorporation known to accompany the use of MgCp2 makes the purity of this precursor an important consideration in nitride CVD. Gas chromatography-mass spectroscopy (GCMS) methods have now been developed for the identification of volatile impurities in MgCp2. Diethylether, an oxygen containing organic compound (CH 3CH2OCH2CH3), and additional organic impurities were found in the MgCp2 supplied by three manufacturers. Subsequent refinements in the synthetic processes by these companies have resulted in the availability of MgCp2 free of ether and other organic impurities as determined by GCMS.

Metal-reinforced Al2-O3-matrix composites were prepared using reactive hot pressing. The volume fraction of the reinforcing phase was controlled by the stoichiometry of the particular displacement reaction used. Dense Al2O3-Ni and Al2O3-Nb composites were fabricated using this technique. The best combination of strength, 610 MPa, and toughness, 12 MPam 1/2 , was found for the Al2O3-Ni composites. Indentation cracks and fracture surfaces showed evidence of ductile deformation of the Ni phase. The Al2O3-Nb composites had high strength, but the toughness was lower than expected due to the poor bonding between the Nb and Al2O3 phases.

Industrial, military, medical, and research and development applications of lasers frequently require a beam with a specified irradiance distribution in some plane. A common requirement is a laser profile that is uniform over some cross-section. Such applications include laser/material processing, laser material interaction studies, fiber injection systems, optical data/image processing, lithography, medical applications, and military applications. Laser beam shaping techniques can be divided in to three areas: apertured beams, field mappers, and multi-aperture beam integrators. An uncertainty relation exists for laser beam shaping that puts constraints on system design. In this paper we review the basics of laser beam shaping and present applications and limitations of various techniques.

Ongoing hydrothermal Cs-Ti-Si-O-H2O phase investigations has produced several new ternary phases including a novel microporous Cs-silicotitanate molecular sieve, SNL-B with the approximate formula of Cs3TiSi3O9.5 · 3H2O SNL-B is only the second molecular sieve, Cs-silicotitanate phase reported to have been synthesized by hydrothermal methods. Crystallites are very small (0.1 x 2 μm2) with a blade-like morphology. SNL-B is confirmed to be a three-dimensional molecular sieve by a variety of characterization techniques (N2 adsorption, ion exchange, water adsorption/desorption, solid state cross polarization-magic angle spinning nuclear magnetic resonance). SNL-B is able to desorb and adsorb water from its pores while retaining its crystal structure and exchanges Cs cations readily. Additional techniques were used to describe fundamental properties (powder X-ray diffraction, FTIR, 29Si and 133Cs MAS NMR, DTA, SEM/EDS, ion selectivity, and radiation stability). The phase relationships of metastable SNL-B to other hydrothermally synthesized Cs-Ti-Si-O-H2O phases are discussed, particularly its relationship to a Cs-silicotitanate analogue of pharmacosiderite, and a novel condensed phase, a polymorph of Cs2TiSi6O15 (SNL-A). (C) 2000 Elsevier Science B.V. All rights reserved. Ongoing hydrothermal Cs-Ti-Si-O-H2O phase investigations has produced several new ternary phases including a novel microporous Cs-silicotitanate molecular sieve, SNL-B with the approximate formula of Cs3TiSi3O9.5·3H2O. SNL-B is only the second molecular sieve, Cs-silicotitanate phase reported to have been synthesized by hydrothermal methods. Crystallites are very small (0.1×2 μm2) with a blade-like morphology. SNL-B is confirmed to be a three-dimensional molecular sieve by a variety of characterization techniques (N2 adsorption, ion exchange, water adsorption/desorption, solid state cross polarization-magic angle spinning nuclear magnetic resonance). SNL-B is able to desorb and adsorb water from its pores while retaining its crystal structure and exchanges Cs cations readily. Additional techniques were used to describe fundamental properties (powder X-ray diffraction, FTIR, 29Si and 133Cs MAS NMR, DTA, SEM/EDS, ion selectivity, and radiation stability). The phase relationships of metastable SNL-B to other hydrothermally synthesized Cs-Ti-Si-O-H2O phases are discussed, particularly its relationship to a Cs-silicotitanate analogue of pharmacosiderite, and a novel condensed phase, a polymorph of Cs2TiSi6O15 (SNL-A).

In this article we concisely present several modern strategies that are applicable to drift-dominated carrier transport in higher-order deterministic models such as the drift-diffusion, hydrodynamic, and quantum hydrodynamic systems. The approaches include extensions of `upwind' and artificial dissipation schemes, generalization of the traditional Scharfetter-Gummel approach, Petrov-Galerkin and streamline-upwind Petrov Galerkin (SUPG), `entropy' variables, transformations, least-squares mixed methods and other stabilized Galerkin schemes such as Galerkin least squares and discontinuous Galerkin schemes. The treatment is representative rather than an exhaustive review and several schemes are mentioned only briefly with appropriate reference to the literature. Some of the methods have been applied to the semiconductor device problem while others are still in the early stages of development for this class of applications. We have included numerical examples from our recent research tests with some of the methods. A second aspect of the work deals with algorithms that employ unstructured grids in conjunction with adaptive refinement strategies. The full benefits of such approaches have not yet been developed in this application area and we emphasize the need for further work on analysis, data structures and software to support adaptivity. Finally, we briefly consider some aspects of software frameworks. These include dial-an-operator approaches such as that used in the industrial simulator PROPHET, and object-oriented software, support such as those in the SANDIA National Laboratory framework SIERRA.

The need to register data is abundant in applications such as: world modeling, part inspection and manufacturing, object recognition, pose estimation, robotic navigation, and reverse engineering. Registration occurs by aligning the regions that are common to multiple images. The largest difficulty in performing this registration is dealing with outliers and local minima while remaining efficient. A commonly used technique, iterative closest point, is efficient but is unable to deal with outliers or avoid local minima. Another commonly used optimization algorithm, simulated annealing, is effective at dealing with local minima but is very slow. Therefore, the algorithm developed in this paper is a hybrid algorithm that combines the speed of iterative closest point with the robustness of simulated annealing. Additionally, a robust error function is incorporated to deal with outliers. This algorithm is incorporated into a complete modeling system that inputs two sets of range data, registers the sets, and outputs a composite model.

Sandia National Laboratories has learned through their process of technology transfer that not all high tech transfers are alike. They are not alike by the nature of the customers involved, the process of becoming involved with these customers and finally and most importantly the very nature of the technology itself. Here, the authors focus on technology transfer in the microsystems arena and specifically the sacrificial surface version of microsystems. They have learned and helped others learn that many MEMS applications are best realized through the use of surface micromachining (SMM). This is because SMM builds on the substantial integrated circuit industry. In this paper, the authors review Sandia's process for transferring a disruptive MEMS technology in numerous cases.

Sandia National Laboratories has been studying Energy Storage Systems since the late 1970s. To identify applications of energy storage, a two-phase Opportunities Analysis was conceptualized in FY94. Phase I of the project was completed and published in 1995. Phase II of the project is an extension of Phase I to reexamine the identified applications in the dynamic environment of today.

Vertical cavity surface emitting lasers (VCSELs) which operate in multiple transverse optical modes have been rapidly adopted into present data communication applications which rely on multi-mode optical fiber. However, operation only in the fundamental mode is required for free space interconnects and numerous other emerging VCSEL applications. Two device design strategies for obtaining single mode lasing in VCSELs based on mode selective loss or mode selective gain are reviewed and compared. Mode discrimination is attained with the use of a thick tapered oxide aperture positioned at a longitudinal field null. Mode selective gain is achieved by defining a gain aperture within the VCSEL active region to preferentially support the fundamental mode. VCSELs which exhibit greater than 3 mW of single mode output power at 850 nm with mode suppression ratio greater than 30 dB are reported.

Polysilsesquioxane foams and gels of the formula (RSiO1.5)n were produced via the catalytic an stoichiometric redistribution of organohydridosiloxanes. The extent of reaction was followed by both infrared (IR) and solid state NMR spectroscopy, following the disappearance of the SiH in the starting oligosiloxane.

An overview is given on the current status of three-dimensional (3D) photonic crystals. The realization of new 3d photonic crystal structures, the creation of high Q microcavities and the building of waveguide bends are presented. These devices form the basic building blocks for applications in signal processing and low threshold lasers.

The Waste Isolation Pilot Plant was licensed for disposal of transuranic wastes generated by the US Department of Energy. The facility consists of a repository mined in a bedded salt formation, approximately 650 m below the surface. Regulations promulgated by the US Environmental Protection Agency require that performance assessment calculations for the repository include the possibility that an exploratory drilling operation could penetrate the waste disposal areas at some time in the future. Release of contaminated solids could reach the surface during a drilling intrusion. One of the mechanisms for release, known as spallings, can occur if gas pressures in the repository exceed the hydrostatic pressure of a column of drilling mud. Calculation of solids releaes for spallings depends critically on the conceptual models for the waste, for the spallings process, and assumptions regarding driller parameters and practices. This paper presents a review of the evolution of these models during the regulatory review of the Compliance Certification Application for the repository. A summary and perspectives on the implementation of conservative assumptions in model development are also provided.

Laser deposits fabricated from two different compositions of 304L stainless steel powder were characterized to determine the nature of the solidification and solid state transformations. One of the goals of this work was to determine to what extent novel microstructures consisting of single-phase austenite could be achieved with the thermal conditions of the LENS process. Although ferrite-free deposits were not obtained, structures with very low ferrite content were achieved. It appeared that, with slight changes in alloy composition, this goal could be met via two different solidification and transformation mechanisms.

A literature survey and technical evaluation was carried out of past and present battery technologies with the goal of identifying appropriate candidates for use in geothermai borehole and, to a lesser extend, oil/gas boreholes. The various constraints that are posed by such an environment are discussed. The promise as well as the limitations of various candidate technologies are presented. Data for limited testing of a number of candidate systems are presented and the areas for additional future work are detailed. The use of low-temperature molten salts shows the most promise for such applications and includes those that are liquid at room temperature. The greatest challenges are to develop an appropriate electrochemical couple that is kinetically stable with the most promising electrolytes-both organic as well as inorganic- over the wide operating window that spans both borehole environments. © 2000 by the American Institute of Aeronautics and Astronautics, Inc. All rights reserved.

Effective use of a parallel computer requires that a calculation be carefully divided among the processors. This load balancing problem appears in many guises and has been a fervent area of research for the past decade or more. Although great progress has been made, and useful software tools developed, a number of challenges remain. It is the conviction of the author that these challenges will be easier to address if we first come to terms with some significant shortcomings in our current perspectives. This paper tries to identify several areas in which the prevailing point of view is either mistaken or insufficient. The goal is to motivate new ideas and directions for this important field. © 2000 Elsevier Science Inc.

This work points out that the costates are actually discontinuous functions of time for optimal control problems with Coulomb friction. In particular these discontinuities occur at the time points where the velocity of the system changes sign. To our knowledge, this has not been noted before. This phenomenon is demonstrated on a minimum-time problem with Coulomb friction and the consistency of discontinuous costates and switching functions with respect to the input switches is shown.

Valve-Regulated Lead-Acid (VRLA) batteries continue to be employed in a wide variety of applications for telecommunications and Uninterruptible Power Supply (UPS). With the rapidly growing penetration of Internet services, the requirements for standby power systems appear to be changing. For example, at last year's INTELEC, high voltage standby power systems up to 300-vdc were discussed as alternatives to the traditional 48-volt power plant. At the same time, battery reliability and the sensitivity of VRLAs to charging conditions (e.g., in-rush current, float voltage and temperature), continue to be argued extensively. Charge regimes which provide 'off-line' charging or intermittent charge to the battery have been proposed. Some of these techniques go against the widely accepted rules of operation for batteries to achieve optimum lifetime. Experience in the telecom industry with high voltage systems and these charging scenarios is limited. However, GNB has several years of experience in the installation and operation of large VRLA battery systems that embody many of the power management philosophies being proposed. Early results show that positive grid corrosion is not accelerated and battery performance is mantained even when the battery is operated at a partial state-of-charge for long periods of time.

The Accelerated Strategic Computing Initiative (ASCI) computational grid is being constructed to interconnect the high performance computing resources of the nuclear weapons complex. The grid will simplify access to the diverse computing, storage, network, and visualization resources, and will enable the coordinated use of shared resources regardless of location. To match existing hardware platforms, required security services, and current simulation practices, the Globus MetaComputing Toolkit was selected to provide core grid services. The ASCI grid extends Globus functionality by operating as an independent grid, incorporating Kerberos-based security, interfacing to Sandia's Cplant™, and extending job monitoring services. To fully meet ASCI's needs, the architecture layers distributed work management and criteria-driven resource selection services on top of Globus. These services simplify the grid interface by allowing users to simply request "run code X anywhere". This paper describes the initial design and prototype of the ASCI grid.

A collision model for the Direct Simulation Monte Carlo (DSMC) method is presented. The collision model is based on the BGK equation and makes use of the Cercignani ellipsoidal distribution to incorporate the effects of heat conductivity. Results obtained by the DSMC method and its BGK and BGKC modifications for a 10° wedge and a flat plate are presented and discussed. © 2000 by Sandia Corporation.

We have developed a stochastic model for the power generated by a photovoltaic (PV) power supply system that includes a rechargeable energy storage device. The ultimate objective of this work is to integrate this photovoltaic generator along with other generation sources to perform power flow calculations to estimate the reliability of different electricity grid configurations. For this reason, the photovoltaic power supply model must provide robust, efficient realizations of the photovoltaic electricity output under a variety of conditions and at different geographical locations. This has been achieved by use of a Karhunen-Loeve framework to model the solar insolation data. The capacity of the energy storage device, in this case a lead-acid battery, is represented by a deterministic model that uses an artificial neural network to estimate the reduction in capacity that occurs over time. When combined with an appropriate stochastic load model, all three elements yield a stochastic model for the photovoltaic power system. This model has been operated on the Monte Carlo principle in stand-alone mode to infer the probabilistic behavior of the system. In particular, numerical examples are shown to illustrate the use of the model to estimate battery life. By the end of one year of operation, there is a 50% probability for the test case shown that the battery will be at or below 95% of initial capacity. © 2000 by the American Institute of Aeronautics and Astronautics, Inc. All rights reserved.

This paper presents an investigation of a technique for using two-dimensional bodies composed of simple polygons with a body-decoupled uniform Cartesian grid in the Direct Simulation Monte Carlo method (DSMC). The method employs an automated grid preprocessing scheme beginning from a CAD geometry definition file, and is based on polygon triangulation using a trapezoid algorithm. A particle-body intersection time comparison is presented between the Icarus DSMC code using a body-fitted structured grid, and using a structured body-decoupled Cartesian grid with both linear and logarithmic search techniques. A comparison of neutral flow over a cylinder is presented using the structured body fitted grid, and the Cartesian body de-coupled grid.

In this paper we describe a high amplitude electrostatic drive for surface micromachined mechanical oscillators that may be suitable for vibratory gyroscopes. It is an advanced design of a previously reported dual mass oscillator (Dyck, et. al., 1999). The structure is a 2 degree-of-freedom, parallel-plate driven motion amplifier, termed the secondary mass drive oscillator (SMD oscillator). During each cycle the device contacts the drive plates, generating large electrostatic forces. Peak-to-peak amplitudes of 54 μm have been obtained by operating the structure in air with an applied voltage of 11 V. We describe the structure, present the analysis and design equations, and show recent results that have been obtained, including frequency response data, power dissipation, and out-of-plane motion.

The Transferable Potentials for Phase Equilibria-United Atom (TraPPE-UA) force field for hydrocarbons is extended to alkenes and alkylbenzenes by introducing the following pseudo-atoms: CH2(sp2), CH(sp2), C(sp2), CH(aro), R-C(aro) for the link to aliphatic side chains and C(aro) for the link of two benzene rings. In this united-atom force field, the nonbonded interactions of the hydrocarbon pseudo-atoms are solely governed by Lennard-Jones 12-6 potentials, and the Lennard-Jones well depth and size parameters for the new pseudo-atoms were determined by fitting to the single-component vapor-liquid-phase equilibria of a few selected model compounds. Configurational-bias Monte Carlo simulations in the NVT version of the Gibbs ensemble were carried out to calculate the single-component vapor-liquid coexistence curves for ethene, propene, 1-butene, trans- and cis-2-butene, 2-methylpropene, 1,5-hexadiene, 1-octene, benzene, toluene, ethylbenzene, propylbenzene, isopropylbenzene, o-, m-, and p-xylene, and naphthalene. The phase diagrams for the binary mixtures of (supercritical) ethene/n-heptane and benzene/n-pentane were determined from simulations in the NpT Gibbs ensemble. Although the TraPPE-UA force field is rather simple and makes use of relatively few different pseudo-atoms, its performance, as judged by comparisons to other popular force fields and available experimental data, is very satisfactory.

Verification and validation are the primary means to assess accuracy and reliability in computational simulations. This paper presents an extensive review of the literature in computational validation and develops a number of extensions to existing ideas. We discuss the early work in validation by the operations research, statistics, and CFD communities. The emphasis in our review is to bring together the diverse contributors to validation methodology and procedures. The disadvantages of standard practice of qualitative graphical validation are pointed out and the arguments for and the literature on validation quantification are presented. We discuss the attributes of a beneficial validation experiment hierarchy and then we give an example for a complex system; a hypersonic cruise missile. We present six recommended characteristics of how a validation experiment is designed, executed, and analyzed. Since one of the key features of a validation experiment is a careful experimental uncertainty estimation analysis, we discuss a statistical procedure that has been developed for improving the estimation of experimental uncertainty. One facet of code verification, the estimation of computational error and uncertainty, is discussed in some detail, but we do not address many other important issues in code verification. We argue for the separation of the concepts of error and uncertainty in computational simulations. Error estimation, primarily that due to numerical solution error, is discussed with regard to its importance in validation. In the same vein, we explain the need to move toward nondeterministic simulations in CFD validation, that is, the propagation of input quantity uncertainty in CFD simulations which yield probabilistic output quantities. We discuss the relatively new concept of validation quantification, also referred to as validation metrics. The inadequacy, in our view, of hypothesis testing in computational validation is discussed. We close the paper by presenting our ideas on validation metrics and we apply them to two conceptual examples. © 2000 The American Institute of Aeronautics and Astronautics Inc.